N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydron;chloride

C16H19Cl2N — CID 67108186

IUPACN-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydron;chloride
SMILESCC(Cc1ccccc1)NCc1ccccc1Cl.[Cl-].[H+]
InChIInChI=1S/C16H18ClN.ClH/c1-13(11-14-7-3-2-4-8-14)18-12-15-9-5-6-10-16(15)17;/h2-10,13,18H,11-12H2,1H3;1H
InChIKeyASTCUURTJCZRSC-UHFFFAOYSA-N
MW296.24 g/mol
LogP1.18
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydron;chloride

N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydron;chloride (PubChem CID 67108186) has the molecular formula C16H19Cl2N and a molecular weight of 296.24 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydron;chloride.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydron;chloride
PubChem CID67108186
Molecular FormulaC16H19Cl2N
Molecular Weight296.24 g/mol
Exact Mass295.09
IUPAC NameN-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydron;chloride
SMILESCC(Cc1ccccc1)NCc1ccccc1Cl.[Cl-].[H+]
InChIInChI=1S/C16H18ClN.ClH/c1-13(11-14-7-3-2-4-8-14)18-12-15-9-5-6-10-16(15)17;/h2-10,13,18H,11-12H2,1H3;1H
InChIKeyASTCUURTJCZRSC-UHFFFAOYSA-N
XLogP1.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydron;chloride?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydron;chloride (CID 67108186) is N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydron;chloride.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydron;chloride?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydron;chloride is CC(Cc1ccccc1)NCc1ccccc1Cl.[Cl-].[H+].
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydron;chloride?
The InChIKey is ASTCUURTJCZRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN.ClH/c1-13(11-14-7-3-2-4-8-14)18-12-15-9-5-6-10-16(15)17;/h2-10,13,18H,11-12H2,1H3;1H.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydron;chloride?
N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydron;chloride has a molecular weight of 296.24 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydron;chloride is sourced from PubChem (CID 67108186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).